(E)-2,16-dimethylheptadec-6-ene

C19H38 — CID 176630989

IUPAC(E)-2,16-dimethylheptadec-6-ene
SMILESCC(C)CCC/C=C/CCCCCCCCC(C)C
InChIInChI=1S/C19H38/c1-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-19(3)4/h8,10,18-19H,5-7,9,11-17H2,1-4H3/b10-8+
InChIKeyBBRMSEXTEBAZGA-CSKARUKUSA-N
MW266.51 g/mol
LogP7.15
Rot. Bonds13

About (E)-2,16-dimethylheptadec-6-ene

(E)-2,16-dimethylheptadec-6-ene (PubChem CID 176630989) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is (E)-2,16-dimethylheptadec-6-ene.

Molecular Properties

Compound Name(E)-2,16-dimethylheptadec-6-ene
PubChem CID176630989
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name(E)-2,16-dimethylheptadec-6-ene
SMILESCC(C)CCC/C=C/CCCCCCCCC(C)C
InChIInChI=1S/C19H38/c1-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-19(3)4/h8,10,18-19H,5-7,9,11-17H2,1-4H3/b10-8+
InChIKeyBBRMSEXTEBAZGA-CSKARUKUSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(E)-2,12-dimethyltridec-6-ene
CID 176630963
(E)-2,15-dimethylhexadec-8-ene
CID 176630932
(Z)-2,15-dimethylhexadec-8-ene
CID 176630952
(E)-2,13-dimethyltetradec-7-ene
CID 176630990
(E)-2,11-dimethyldodec-5-ene
CID 168834978
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-8-ene
CID 20541049
10-methylundec-3-ene
CID 544769
2,13-dimethyltetradec-4-ene
CID 139930710

Frequently Asked Questions

What is the IUPAC name of (E)-2,16-dimethylheptadec-6-ene?
The IUPAC name of (E)-2,16-dimethylheptadec-6-ene (CID 176630989) is (E)-2,16-dimethylheptadec-6-ene.
What is the SMILES notation for (E)-2,16-dimethylheptadec-6-ene?
The canonical SMILES for (E)-2,16-dimethylheptadec-6-ene is CC(C)CCC/C=C/CCCCCCCCC(C)C.
What is the InChIKey of (E)-2,16-dimethylheptadec-6-ene?
The InChIKey is BBRMSEXTEBAZGA-CSKARUKUSA-N. The full InChI is InChI=1S/C19H38/c1-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-19(3)4/h8,10,18-19H,5-7,9,11-17H2,1-4H3/b10-8+.
What are the key properties of (E)-2,16-dimethylheptadec-6-ene?
(E)-2,16-dimethylheptadec-6-ene has a molecular weight of 266.51 g/mol, XLogP of 7.15, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,16-dimethylheptadec-6-ene is sourced from PubChem (CID 176630989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).